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1.
B.H. Bairamov V.A. Voitenko I.P. Ipatova V.V. Toporov G. Irmer J. Monecke E. Jahne 《Applied Surface Science》1991,50(1-4):300-302
Quasi-elastic light scattering from individual electron single-particle excitations is observed experimentally and studied theoretically in n-GaAs and n-InP samples with nonparabolic dispersion of energy bands for a wide range of free-electron concentrations varying from ≈108 to ≈1019 cm-3. The results indicate that the scattering mechanisms associated with charge-, spin- and momentum-density fluctuations are represented by different light scattering line shapes and occur in different concentration ranges. 相似文献
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Rudolph WW Irmer G 《Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy》2011,79(5):1483-1492
Aqueous solutions of sodium tribromoacetate (NaCBr3CO2) and its corresponding acid (CBr3COOH) have been studied using Raman and infrared spectroscopy. The spectra of the species in solution were assigned according to symmetry Cs. Characteristic bands of CBr3CO2-(aq) and the tribromoacetic acid, CBr3COOH(aq), are discussed. For the hydrated anion, the CO2 group, the symmetric CO2 stretching mode at 1332 cm(-1) and the asymmetric stretching mode at 1651 cm(-1) are characteristic while the CO mode at 1730 cm(-1) is characteristic for the spectra of the acid. The stretching mode, νC-C at 912cm(-1) for CBr3CO2-(aq) is 10 cm(-1) lower in the anion compared with that of the acid. These characteristic modes are compared to those in acetate, CH3CO2-(aq). Coupling of the modes are fairly extensive and therefore DFT calculations have been carried out in order to compare the measured spectra with the calculated ones. The geometrical parameters such as bond length and bond angles of the tribromoacetate, and tribromoacetic acid have been obtained and may be compared with the ones published for other acetates and their conjugated acids. CBr3COOH(aq) is a moderately strong acid and the pKa value derived from quantitative Raman measurements is equal to -0.23 at 23°C. The deuterated acid CBr3COOD in heavy water has been measured as well and the assignments were given. 相似文献
4.
Raman spectra of arsenic vapour were measured at temperatures up to 1210 K. The intensity ratio of the vibrational modes was used to determine the partial pressure ratio of As2 and As4. The data obtained exhibit discrepancies to existing theoretically predicted values. The reason for these differences is yet unclear. 相似文献
5.
Benedikt Nieptter Regine Herbst‐Irmer Dietmar Stalke 《Journal of Applied Crystallography》2015,48(5):1485-1497
Charge density investigations of the compounds [Mg{(pz*)3C}2] ( 1 ) (pz* = 3,5‐dimethylpyrazolyl) and (Ph2P=S)C14H9 ( 2 ) show two disturbing features in each case. First, the models derived from high‐resolution data sets at different temperatures differ significantly. Additionally, residual density appears close to or even at the atomic positions, especially for data sets measured at 100 K. This indicates significant errors that could be caused by thermal diffuse scattering (TDS). A reduction of the integration box size leads to a substantial improvement in the model quality and removes the differences in the models. At the same time it indicates TDS to be the reason for these errors. However, this method is very time consuming and an alternative is needed. In endeavouring to improve the method, it was noticed that the refinement of resolution‐dependent scale factors can be employed as a validation tool to detect such errors. In a nested interval approach, a correction factor {α = a[sin(θ)/λ]2 + b[sin(θ)/λ]3} is determined that minimizes these errors and improves the model quality. This model is now based on refinement of only a single scale factor. 相似文献
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Dr. Ramachandran Azhakar Dr. Rajendra S. Ghadwal Prof. Dr. Herbert W. Roesky Prof. Dr. Ricardo A. Mata Hilke Wolf Regine Herbst‐Irmer Prof. Dr. Dietmar Stalke 《Chemistry (Weinheim an der Bergstrasse, Germany)》2013,19(11):3715-3720
Three‐ and five‐membered rings that bear the (Si‐C‐S ) and (Si‐C‐C‐C‐S ) unit have been synthesized by the reactions of L SiCl ( 1 ; L =PhC(NtBu)2) and L′ Si ( 2 ; L′ =CH{(C?CH2)(CMe)(2,6‐iPr2C6H3N)2}) with the thioketone 4,4′‐bis(dimethylamino)thiobenzophenone. Treatment of 4,4′‐bis(dimethylamino)thiobenzophenone with L SiCl at room temperature furnished the [1+2]‐cycloaddition product silathiacyclopropane 3 . However, reaction of 4,4′‐bis(dimethylamino)thiobenzophenone with L′ Si at low temperature afforded a [1+4]‐cycloaddition to yield the five‐membered ring product 4 . Compounds 3 and 4 were characterized by NMR spectroscopy, EIMS, and elemental analysis. The molecular structures of 3 and 4 were unambiguously established by single‐crystal X‐ray structural analysis. The room‐temperature reaction of 4,4′‐bis(dimethylamino)thiobenzophenone with L′ Si resulted in products 4 and 5 , in which 4 is the dearomatized product and 5 is formed under the 1,3‐migration of a hydrogen atom from the aromatic phenyl ring to the carbon atom of the C? S unit. Furthermore, the optimized structures of probable products were investigated by using DFT calculations. 相似文献
9.
The application of polarized X-rays in energy dispersive X-ray fluorescence analysis (EDXRF) is prooved to be one method for improvement the sensitivity of trace analysis at rock- and soil-samples. The use of a high power X-ray tube in connection with an amorphous Barkla-scattering target for polarization makes possible the increase of peak-to-background ratios in a wide energy range (5 keV < E < 40 keV) in comparison to direct excitation. The influence of the polarization on the peak-to-background ratios at trace analysis at geological samples will be shown. 相似文献
10.
Veysel T. Yilmaz Ahmet Karadag Carsten Thne Regine Herbst‐Irmer 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(8):948-949
In the neutral title complex, trans‐bis(2,2′‐iminodiethanol‐N,O)bis(isothiocyanato)nickel(II), [Ni(NCS)2(C4H11NO2)2], the isothiocyanate ions and the diethanolamine molecules act as monodentate and bidentate ligands, respectively. The NiII ion exhibits a distorted octahedral configuration with crystallographically imposed inversion symmetry and NNCS—Ni—Namine and NNCS—Ni—Oamine bond angles of 88.78 (10) and 89.44 (10)°, respectively. The Ni—N bond distances are in the range 2.069 (3)–2.096 (2) Å. The molecules are linked by hydrogen bonds to form a three‐dimensional infinite lattice. 相似文献